5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C9H6Cl2F3N3 — CID 172858965

IUPAC5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cc(Cl)c2nc(C(F)(F)F)nn2c1Cl
InChIInChI=1S/C9H6Cl2F3N3/c1-2-4-3-5(10)7-15-8(9(12,13)14)16-17(7)6(4)11/h3H,2H2,1H3
InChIKeyZCECPTOSIYTUJX-UHFFFAOYSA-N
MW284.07 g/mol
LogP3.62
Rot. Bonds1

About 5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 172858965) has the molecular formula C9H6Cl2F3N3 and a molecular weight of 284.07 g/mol. Its IUPAC name is 5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID172858965
Molecular FormulaC9H6Cl2F3N3
Molecular Weight284.07 g/mol
Exact Mass282.99
IUPAC Name5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cc(Cl)c2nc(C(F)(F)F)nn2c1Cl
InChIInChI=1S/C9H6Cl2F3N3/c1-2-4-3-5(10)7-15-8(9(12,13)14)16-17(7)6(4)11/h3H,2H2,1H3
InChIKeyZCECPTOSIYTUJX-UHFFFAOYSA-N
XLogP3.62
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 172858965) is 5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1cc(Cl)c2nc(C(F)(F)F)nn2c1Cl.
What is the InChIKey of 5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZCECPTOSIYTUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3N3/c1-2-4-3-5(10)7-15-8(9(12,13)14)16-17(7)6(4)11/h3H,2H2,1H3.
What are the key properties of 5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 284.07 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-6-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 172858965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).